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3-(2-{(E)-[1-(2,4-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK103486
SMILES Cc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)C(=O)O)/C1=O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H19N3O4S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O4S/c1-14-8-9-20(15(2)11-14)27-22(29)19(21(28)25-24(27)32)13-18-7-4-10-26(18)17-6-3-5-16(12-17)23(30)31/h3-13H,1-2H3,(H,30,31)(H,25,28,32)/b19-13+
InChIKey
WHHMVTQEKOVZHO-CPNJWEJPSA-N
Synonyms
593272-77-6
(E)3(2((1(24dimethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
3(2((1(24DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
3(2((E)(1(24DIMETHYLPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
3(2((E)(1(24DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
3(2((E)(1(24DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=S)C
Cc1ccc(c(c1)C)N1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)C(=O)O)C1=O
InChI=1SC24H19N3O4Sc1148920(15(2)1114)2722(29)19(21(28)2524(27)32)1318741026(18)1763516(1217)23(30)31h313H12H3(H3031)(H252832)b1913+
MFCD03864291
ZINC8451838

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Available files

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